N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide

C22H28N2O3 — CID 17177576

IUPACN'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-15(2)13-14-27-20-11-9-19(10-12-20)22(26)24-23-21(25)18-7-5-17(6-8-18)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyHAFWHDOHXSTFGN-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.31
Rot. Bonds7

About N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide

N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide (PubChem CID 17177576) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
PubChem CID17177576
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-15(2)13-14-27-20-11-9-19(10-12-20)22(26)24-23-21(25)18-7-5-17(6-8-18)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyHAFWHDOHXSTFGN-UHFFFAOYSA-N
XLogP4.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887
N'-butanoyl-4-(3-methylbutoxy)benzohydrazide
CID 4927928
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4952843
N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
CID 54789257
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
CID 17045712
N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953226

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide?
The IUPAC name of N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide (CID 17177576) is N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide.
What is the SMILES notation for N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide?
The canonical SMILES for N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide is CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide?
The InChIKey is HAFWHDOHXSTFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)13-14-27-20-11-9-19(10-12-20)22(26)24-23-21(25)18-7-5-17(6-8-18)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide?
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide has a molecular weight of 368.48 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide is sourced from PubChem (CID 17177576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).